Basic information
- CAS
3460-54-6- Standard SMILES
CCCCOc1ccc(NC(=S)Nc2ccc(OCCCC)cc2)cc1- InChIKey
IXBVMHHGEKZUKE-UHFFFAOYSA-N- Molecular formula
- C21H28N2O2S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18714931
Names & identifiers
- Preferred name
- 1,3-Bis(4-butoxyphenyl)thiourea
- IUPAC
- 1,3-bis(4-butoxyphenyl)thiourea
Names & synonyms
1,3-bis(4-butoxyphenyl)thioureaB593460-54-6CHEMBL215737DTXSID90388228N,N'-Bis(4-butoxyphenyl)thioureaSu 1814Bis[(4-butoxyphenyl)amino]methane-1-thione
Database identifiers
- CAS
3460-54-6- PubChem CID
- 3001978
- DTXSID
DTXSID90388228- ChEMBL
CHEMBL215737
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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